SCHEMBL3333138

SCHEMBL3333138

CN1C(=O)CN(CCN2CC(=O)N(C)C(=O)C2)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS1 P23219 1/20 0.39
APEX1 P27695 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9720896 0.89 PIK3CD (0.38) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL12208456 0.83 PIK3CD (0.38) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL15549868 0.81 PIK3CD (0.36) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL15548788 0.76 TSHR (0.39) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL84388 0.75 GSK3A (0.35) PTGS1GSK3AGSK3BCRBNBRD4
SCHEMBL9720746 0.73 PTGS1 (0.56) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL9720830 0.73 PTGS1 (0.56) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL9720744 0.73 PTGS1 (0.56) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL1101974 0.71 MC4R (0.53) MEN1LMNAKMT2AGSK3AGSK3B
SCHEMBL15062099 0.71 GSK3A (0.32) GSK3AGSK3BCRBNBRD4BRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US claimed
WO-1992000740-A2 BIS-DIOXOPIPERAZINES AND THEIR USE AS PROTECTION AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-23 WO claimed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20100144704-A1 Method of reducing amyloid-beta peptide levels using a bisdioxopiperazine THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-06-10 US disclosed
EP-2035003-A1 A METHOD OF REDUCING AMYLOID-BETA PEPTIDE LEVELS USING A BISDIOXOPIPERAZINE The Govt Of The USA, As Represented By The Secretary, Department Of Health And Human Services (US) 2009-03-18 EP disclosed
WO-2007146178-A1 A METHOD OF REDUCING AMYLOID-BETA PEPTIDE LEVELS USING A BISDIOXOPIPERAZINE THE GOVT OF THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, (US) 2007-12-21 WO disclosed
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed
WO-1992000740-A2 BIS-DIOXOPIPERAZINES AND THEIR USE AS PROTECTION AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144704-A1 Method of reducing amyloid-beta peptide levels using a bisdioxopiperazine IAPP, APP, BACE1 PIK3CD 4772/4885MEN1 1316/4885LMNA 2044/4885
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA XPO1, XPOT, DDB1 PIK3CD 2971/4885MEN1 362/4885LMNA 527/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.